4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methylphenyl)butane-1-sulfonamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methylphenyl)butane-1-sulfonamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(m-tolyl)butane-1-sulfonamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3-methylphenyl)-1-butanesulfonamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methylphenyl)butane-1-sulfonamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(m-tolyl)butane-1-sulfonamide Formula: C18H20N2O2S3 MolecularWeight: 392.5586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)CCCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)CCCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H20N2O2S3/c1-14-7-6-8-15(13-14)20-25(21,22)12-5-4-11-23-18-19-16-9-2-3-10-17(16)24-18/h2-3,6-10,13,20H,4-5,11-12H2,1H3